3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9-methylcarbazole-3,6-diamine

C45H49N7 — CID 143236484

IUPAC3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9-methylcarbazole-3,6-diamine
SMILESCN(C)c1ccc(N(c2ccc(N(C)C)cc2)c2ccc3c(c2)c2cc(N(c4ccc(N(C)C)cc4)c4ccc(N(C)C)cc4)ccc2n3C)cc1
InChIInChI=1S/C45H49N7/c1-46(2)32-10-18-36(19-11-32)51(37-20-12-33(13-21-37)47(3)4)40-26-28-44-42(30-40)43-31-41(27-29-45(43)50(44)9)52(38-22-14-34(15-23-38)48(5)6)39-24-16-35(17-25-39)49(7)8/h10-31H,1-9H3
InChIKeyUUSOYBHKFSFBPG-UHFFFAOYSA-N
MW687.94 g/mol
LogP10.54
Rot. Bonds10

About 3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9-methylcarbazole-3,6-diamine

3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9-methylcarbazole-3,6-diamine (PubChem CID 143236484) has the molecular formula C45H49N7 and a molecular weight of 687.94 g/mol. Its IUPAC name is 3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9-methylcarbazole-3,6-diamine.

Molecular Properties

Compound Name3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9-methylcarbazole-3,6-diamine
PubChem CID143236484
Molecular FormulaC45H49N7
Molecular Weight687.94 g/mol
Exact Mass687.40
IUPAC Name3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9-methylcarbazole-3,6-diamine
SMILESCN(C)c1ccc(N(c2ccc(N(C)C)cc2)c2ccc3c(c2)c2cc(N(c4ccc(N(C)C)cc4)c4ccc(N(C)C)cc4)ccc2n3C)cc1
InChIInChI=1S/C45H49N7/c1-46(2)32-10-18-36(19-11-32)51(37-20-12-33(13-21-37)47(3)4)40-26-28-44-42(30-40)43-31-41(27-29-45(43)50(44)9)52(38-22-14-34(15-23-38)48(5)6)39-24-16-35(17-25-39)49(7)8/h10-31H,1-9H3
InChIKeyUUSOYBHKFSFBPG-UHFFFAOYSA-N
XLogP10.54
TPSA24.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.94
LogP ≤ 510.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9H-carbazole-3,6-diamine
CID 58925352
9-methyl-2-N,2-N,7-N,7-N-tetraphenylcarbazole-2,7-diamine
CID 121465213
3-N,6-N-bis(4-ethenylphenyl)-3-N,6-N-bis(4-methoxyphenyl)-9-methylcarbazole-3,6-diamine
CID 155159230
3-carbazol-9-yl-9-methylcarbazole;4-carbazol-9-yl-N-methyl-N-phenylaniline;9-methyl-N,N-diphenylcarbazol-3-amine
CID 160890732
3-N,6-N-bis(4-aminophenyl)-3-N,6-N,9-trimethylcarbazole-3,6-diamine
CID 139518693
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;9-methylcarbazole;4-methyl-N,N-diphenylaniline;1-N,1-N,4-N-trimethyl-4-N-phenylbenzene-1,4-diamine
CID 160843476
6-N,18-N-bis(9-methylcarbazol-3-yl)-6-N,18-N-diphenyl-3,15-dithiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine
CID 162475625
9-methyl-N-phenyl-N-(10-phenylanthracen-9-yl)carbazol-3-amine
CID 58273861
9-ethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;bis(9-methyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine)
CID 159037190
(Z)-3-hydroxy-1-[6-[(Z)-3-hydroxy-3-[4-(N-phenylanilino)phenyl]prop-2-enoyl]-9-methylcarbazol-3-yl]-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one
CID 136742144
N-[4-(9-methylcarbazol-3-yl)phenyl]-N-phenylnaphthalen-2-amine
CID 126631436
4-N-[6-[6-[6-(4-amino-N-methylanilino)-9-methylcarbazol-3-yl]-9-methylcarbazol-3-yl]-9-methylcarbazol-3-yl]-4-N-methylbenzene-1,4-diamine
CID 142376867

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9-methylcarbazole-3,6-diamine?
The IUPAC name of 3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9-methylcarbazole-3,6-diamine (CID 143236484) is 3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9-methylcarbazole-3,6-diamine.
What is the SMILES notation for 3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9-methylcarbazole-3,6-diamine?
The canonical SMILES for 3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9-methylcarbazole-3,6-diamine is CN(C)c1ccc(N(c2ccc(N(C)C)cc2)c2ccc3c(c2)c2cc(N(c4ccc(N(C)C)cc4)c4ccc(N(C)C)cc4)ccc2n3C)cc1.
What is the InChIKey of 3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9-methylcarbazole-3,6-diamine?
The InChIKey is UUSOYBHKFSFBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H49N7/c1-46(2)32-10-18-36(19-11-32)51(37-20-12-33(13-21-37)47(3)4)40-26-28-44-42(30-40)43-31-41(27-29-45(43)50(44)9)52(38-22-14-34(15-23-38)48(5)6)39-24-16-35(17-25-39)49(7)8/h10-31H,1-9H3.
What are the key properties of 3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9-methylcarbazole-3,6-diamine?
3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9-methylcarbazole-3,6-diamine has a molecular weight of 687.94 g/mol, XLogP of 10.54, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9-methylcarbazole-3,6-diamine is sourced from PubChem (CID 143236484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).